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update a few more rounding cases with std::lround()

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This commit is contained in:
Axel Kohlmeyer
2025-06-23 23:17:14 -04:00
parent f7f5a3e3e4
commit 8c12ab5db0
3 changed files with 12 additions and 10 deletions
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12
src/LATBOLTZ/fix_lb_fluid.cpp
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@ -438,9 +438,9 @@ FixLbFluid::FixLbFluid(LAMMPS *lmp, int narg, char **arg) :
//--------------------------------------------------------------------------
// Set the total number of grid points in each direction.
//--------------------------------------------------------------------------
Nbx = (int) (domain->xprd / dx_lb + 0.5);
Nby = (int) (domain->yprd / dx_lb + 0.5);
Nbz = (int) (domain->zprd / dx_lb + 0.5);
Nbx = std::lround(domain->xprd / dx_lb);
Nby = std::lround(domain->yprd / dx_lb);
Nbz = std::lround(domain->zprd / dx_lb);
//--------------------------------------------------------------------------
// Set the number of grid points in each dimension for the local subgrids.
@ -739,9 +739,9 @@ void FixLbFluid::init()
// between runs.
//--------------------------------------------------------------------------
int Nbx_now, Nby_now, Nbz_now;
Nbx_now = (int) (domain->xprd / dx_lb + 0.5);
Nby_now = (int) (domain->yprd / dx_lb + 0.5);
Nbz_now = (int) (domain->zprd / dx_lb + 0.5);
Nbx_now = std::lround(domain->xprd / dx_lb);
Nby_now = std::lround(domain->yprd / dx_lb);
Nbz_now = std::lround(domain->zprd / dx_lb);
// If there are walls in the z-direction add an extra grid point.
if (domain->periodicity[2] == 0) { Nbz_now += 1; }

6
src/SRD/fix_srd.cpp
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@ -3113,9 +3113,9 @@ void FixSRD::setup_velocity_bins()
{
// require integer # of bins across global domain
nbin1x = static_cast<int>(domain->xprd / gridsrd + 0.5);
nbin1y = static_cast<int>(domain->yprd / gridsrd + 0.5);
nbin1z = static_cast<int>(domain->zprd / gridsrd + 0.5);
nbin1x = std::lround(domain->xprd / gridsrd);
nbin1y = std::lround(domain->yprd / gridsrd);
nbin1z = std::lround(domain->zprd / gridsrd);
if (dimension == 2) nbin1z = 1;
if (nbin1x == 0) nbin1x = 1;

4
src/tabular_function.h
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@ -14,6 +14,8 @@
#ifndef LMP_TABULAR_FUNCTION_H
#define LMP_TABULAR_FUNCTION_H
#include <cmath>
namespace LAMMPS_NS {
class TabularFunction {
public:
@ -35,7 +37,7 @@ class TabularFunction {
void value(double x, double &y, int ny, double &y1, int ny1)
{
double ps = (x - xmin) * rdx;
int ks = ps + 0.5;
int ks = std::lround(ps);
if (ks > size - 1) ks = size - 1;
if (ks < 0) ks = 0;
ps = ps - ks;